3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(4-pyrrolidin-1-ylcarbonylphenyl)methyl]propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(4-pyrrolidin-1-ylcarbonylphenyl)methyl]propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-[[4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl]propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[4-(pyrrolidine-1-carbonyl)benzyl]propionamide Formula: C27H35N3O4S MolecularWeight: 497.6495

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NCC3=CC=C(C=C3)C(=O)N4CCCC4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NCC3=CC=C(C=C3)C(=O)N4CCCC4

InChI

InChI=1S/C27H35N3O4S/c31-26(28-21-23-7-12-24(13-8-23)27(32)29-17-5-6-18-29)16-11-22-9-14-25(15-10-22)35(33,34)30-19-3-1-2-4-20-30/h7-10,12-15H,1-6,11,16-21H2,(H,28,31)